1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

C14H18ClN3O2 — CID 24818619

IUPAC1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-11-5-1-2-6-12(11)17-14(20)16-8-4-10-18-9-3-7-13(18)19/h1-2,5-6H,3-4,7-10H2,(H2,16,17,20)
InChIKeyHIVKDRSMMMHFRF-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.47
Rot. Bonds5

About 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea

1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (PubChem CID 24818619) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
PubChem CID24818619
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
SMILESO=C(NCCCN1CCCC1=O)Nc1ccccc1Cl
InChIInChI=1S/C14H18ClN3O2/c15-11-5-1-2-6-12(11)17-14(20)16-8-4-10-18-9-3-7-13(18)19/h1-2,5-6H,3-4,7-10H2,(H2,16,17,20)
InChIKeyHIVKDRSMMMHFRF-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea (CID 24818619) is 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is O=C(NCCCN1CCCC1=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
The InChIKey is HIVKDRSMMMHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-11-5-1-2-6-12(11)17-14(20)16-8-4-10-18-9-3-7-13(18)19/h1-2,5-6H,3-4,7-10H2,(H2,16,17,20).
What are the key properties of 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea?
1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea has a molecular weight of 295.77 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea is sourced from PubChem (CID 24818619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).